2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB29-0581 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C(Cn2c(C)cc(C)n2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0373 |
| logD: | 2.0359 |
| logSw: | -2.5162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.499 |
| InChI Key: | IDQLNHAXKLAUBM-UXHICEINSA-N |